DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL365066_dpp4

Atoms: 189
Models: 9
Best Energy: -6.436 kcal/mol

Binding Energies:
  • Pose 1: -6.436 kcal/mol
  • Pose 2: -6.426 kcal/mol
  • Pose 3: -6.397 kcal/mol
  • Pose 4: -6.366 kcal/mol
  • Pose 5: -6.318 kcal/mol
  • Pose 6: -6.277 kcal/mol
  • Pose 7: -6.276 kcal/mol
  • Pose 8: -6.186 kcal/mol
  • Pose 9: -6.099 kcal/mol
CHEMBL365066_dpp4
Energy Plot
RMSD Scatter Plot